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CS-W001157 4
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4-Chloro-2-methoxy-5-nitro-benzoic acid methyl ester

  • CAS No. 109069-75-2

  • Cat. No. CS-0205821
  • Molecule weight245.62
  • Purity≥95%
  • MDL No.MFCD10574787

*For research and further manufacturing use only, not for direct human use.

4-Chloro-2-methoxy-5-nitro-benzoic acid methyl ester|CS-0205821

Structure of 109069-75-2

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General Information

  • CAS No. 109069-75-2
  • Cat. No. CS-0205821
  • Purity ≥95%
  • MDL No. MFCD10574787
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClNO₅
  • Molecular Weight 245.62
  • Synonym(s) Methyl 4-chloro-2-methoxy-5-nitrobenzoate
  • SMILES O=C(OC)C1=CC(=C(Cl)C=C1OC)N(=O)=O

Synthesis

  • Route1
    • 4-Chloro-2-methoxy-5-nitro-benzoic acid|CS-0209758
      68255-77-6
    • ~%
    • 4-Chloro-2-methoxy-5-nitro-benzoic acid methyl ester|CS-0205821
      109069-75-2

    References

    • Eisai Co., Ltd. Patent: US6518423 B1, 2003 ;
  • Route2

    References

    • Loudon,J.D.; Smith,D.M. Journal of the Chemical Society, 1964 , p. 2806 - 2810
  • Route3
    • null|null
      67-56-1
    • null|null
      90763-47-6
    • ~%
    • 4-Chloro-2-methoxy-5-nitro-benzoic acid methyl ester|CS-0205821
      109069-75-2

    References

    • Ogata, Masaru; Matsumoto, Hiroshi; Kida, Shiro; Shiomi, Teruo; Eigyo, Masami; Hirose, Katsumi Journal of Medicinal Chemistry, 1984 , vol. 27, # 9 p. 1137 - 1141

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   2.0434
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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